Moracin D

CAT: 0926-UCA12007-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-UCA12007-02Size:10 mg

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CAS Number

69120-07-6

MDL Number

MFCD20274765

Smiles

CC1 (C=CC2=C (C=C (C=C2O1) C3=CC4=C (O3) C=C (C=C4) O) O) C

Molecular Formula

C19H16O4

Molecular Weight

308.3 g/mol

Controlled

Chemical Information

7-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethyl-2H-chromen-5-ol

Moracin D is a member of benzofurans.

CAS Number	69120-07-6
PubChem CID	641378
IUPAC Name	7-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethylchromen-5-ol
Molecular Formula	C19H16O4
Molecular Weight	308.3
XLogP	4.2
Topological Polar Surface Area	62.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	23
Formal Charge	0
Complexity	474

SMILES

CC1(C=CC2=C(C=C(C=C2O1)C3=CC4=C(O3)C=C(C=C4)O)O)C

InChI

InChI=1S/C19H16O4/c1-19(2)6-5-14-15(21)7-12(9-18(14)23-19)16-8-11-3-4-13(20)10-17(11)22-16/h3-10,20-21H,1-2H3

InChIKey

CHAAQDMHLLQJRO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 69120-07-6

CID: 641378

Formula: C19H16O4

MW: 308.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	308.3
XLogP3	4.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	308.10485899
Monoisotopic Mass	308.10485899
Topological Polar Surface Area	62.8 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	474
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
WVB11327-01	Moracin T
CEA84146-01	Moracin P
UCA12006-01	Moracin C
YEA70297-01	Moracin O
SNA87755-01	D-Lys-D-Leu-D-Val-D-Phe-D-Phe-D-Ala trifluoroacetate
FA108406-01	H-D-Ala-D-Ala-D-Ala-D-Ala-D-Ala-D-Ala-OH
FA108403-01	H-D-Ala-D-Ala-D-Ala-D-Ala-D-Ala-OH
FC110132-01	H-Cys (NPys) -D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-NH2 trifluoroacetate salt
VAC-00149-01	[D-Arg1, D-Pro2, D-Phe7, D-His9]-Substance P
FA108400-01	H-D-Ala-D-Ala-D-Ala-D-Ala-OH